5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide

C16H15N3OS — CID 61094816

IUPAC5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(N)ccc2s1)c1ccccn1
InChIInChI=1S/C16H15N3OS/c1-10(13-4-2-3-7-18-13)19-16(20)15-9-11-8-12(17)5-6-14(11)21-15/h2-10H,17H2,1H3,(H,19,20)
InChIKeyMCUKJLBNXDGZOK-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.37
Rot. Bonds3

About 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide

5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 61094816) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID61094816
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(N)ccc2s1)c1ccccn1
InChIInChI=1S/C16H15N3OS/c1-10(13-4-2-3-7-18-13)19-16(20)15-9-11-8-12(17)5-6-14(11)21-15/h2-10H,17H2,1H3,(H,19,20)
InChIKeyMCUKJLBNXDGZOK-UHFFFAOYSA-N
XLogP3.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 9118932
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 61138958
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
2-amino-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 62793747
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 58418239
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide (CID 61094816) is 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide is CC(NC(=O)c1cc2cc(N)ccc2s1)c1ccccn1.
What is the InChIKey of 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MCUKJLBNXDGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(13-4-2-3-7-18-13)19-16(20)15-9-11-8-12(17)5-6-14(11)21-15/h2-10H,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61094816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).